N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

C13H11N3O2 — CID 79026171

IUPACN-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C#N)cc2)o1
InChIInChI=1S/C13H11N3O2/c1-8-12(18-9(2)15-8)13(17)16-11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H,16,17)
InChIKeyRCXCENAYHMHPST-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds2

About N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide

N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (PubChem CID 79026171) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
PubChem CID79026171
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)Nc2ccc(C#N)cc2)o1
InChIInChI=1S/C13H11N3O2/c1-8-12(18-9(2)15-8)13(17)16-11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H,16,17)
InChIKeyRCXCENAYHMHPST-UHFFFAOYSA-N
XLogP2.42
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(cyanomethyl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 79026221
N-(3-chloro-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 4142231
N-(4-amino-3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82861939
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 166215741
N-(4-bromo-3-chlorophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 103824749
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
N-(4-bromo-2-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 82708535
N-(2,6-dimethylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113442
2,4-dimethyl-N-(4-methyl-3-sulfamoylphenyl)-1,3-oxazole-5-carboxamide
CID 79164756
N-(1H-indazol-6-yl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 110684914
5-acetamido-N-(4-cyanophenyl)furan-2-carboxamide
CID 110700003
N-(4-cyanophenyl)-2,4-dimethyl-6-oxopyran-3-carboxamide
CID 110699384

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide (CID 79026171) is N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2ccc(C#N)cc2)o1.
What is the InChIKey of N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
The InChIKey is RCXCENAYHMHPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-12(18-9(2)15-8)13(17)16-11-5-3-10(7-14)4-6-11/h3-6H,1-2H3,(H,16,17).
What are the key properties of N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide?
N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 79026171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).